methyl 2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(1,1,3,3-tetramethylbutylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H25N3O2S2/c1-17(2,3)10-18(4,5)21-15(24)20-16-19-12-8-7-11(14(22)23-6)9-13(12)25-16/h7-9H,10H2,1-6H3,(H2,19,20,21,24)